⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL88731 | 0.86 | — | — | |
| SCHEMBL19246825 | 0.85 | — | — | |
| SCHEMBL30231851 | 0.85 | — | — | |
| SCHEMBL82271 | 0.85 | — | — | |
| SCHEMBL30231794 | 0.84 | SLC22A2 (0.53) | — | |
| SCHEMBL80015 | 0.84 | SLC22A2 (0.53) | — | |
| SCHEMBL17005315 | 0.84 | SLC22A2 (0.62) | — | |
| SCHEMBL17005284 | 0.84 | SLC22A2 (0.47) | — | |
| SCHEMBL17005326 | 0.82 | — | — | |
| SCHEMBL81544 | 0.82 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9273065-B2 | Substituted pyrido[1',2':4,5]pyrazino[1,2-a]pyrimidines as HIV integrase inhibitors | SHIONOGI & CO., LTD. (JP) | 2016-03-01 | — | — | US | disclosed |
| US-20150232479-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2015-08-20 | — | — | US | disclosed |